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3H-benzimidazol-5-yl-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

C14H14N6O — CID 110743606

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3H-benzimidazol-5-yl-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESCc1nnc2n1CCN(C(=O)c1ccc3nc[nH]c3c1)C2
InChIInChI=1S/C14H14N6O/c1-9-17-18-13-7-19(4-5-20(9)13)14(21)10-2-3-11-12(6-10)16-8-15-11/h2-3,6,8H,4-5,7H2,1H3,(H,15,16)
InChIKeyAUHQUOWQSQYINR-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.12
Rot. Bonds1

About 3H-benzimidazol-5-yl-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone

3H-benzimidazol-5-yl-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (PubChem CID 110743606) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.

Molecular Properties

Compound Name3H-benzimidazol-5-yl-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
PubChem CID110743606
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name3H-benzimidazol-5-yl-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
SMILESCc1nnc2n1CCN(C(=O)c1ccc3nc[nH]c3c1)C2
InChIInChI=1S/C14H14N6O/c1-9-17-18-13-7-19(4-5-20(9)13)14(21)10-2-3-11-12(6-10)16-8-15-11/h2-3,6,8H,4-5,7H2,1H3,(H,15,16)
InChIKeyAUHQUOWQSQYINR-UHFFFAOYSA-N
XLogP1.12
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The IUPAC name of 3H-benzimidazol-5-yl-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone (CID 110743606) is 3H-benzimidazol-5-yl-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone.
What is the SMILES notation for 3H-benzimidazol-5-yl-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The canonical SMILES for 3H-benzimidazol-5-yl-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is Cc1nnc2n1CCN(C(=O)c1ccc3nc[nH]c3c1)C2.
What is the InChIKey of 3H-benzimidazol-5-yl-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
The InChIKey is AUHQUOWQSQYINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c1-9-17-18-13-7-19(4-5-20(9)13)14(21)10-2-3-11-12(6-10)16-8-15-11/h2-3,6,8H,4-5,7H2,1H3,(H,15,16).
What are the key properties of 3H-benzimidazol-5-yl-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone?
3H-benzimidazol-5-yl-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone has a molecular weight of 282.31 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-benzimidazol-5-yl-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone is sourced from PubChem (CID 110743606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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